Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28085957 | 0.90 | KCNA3 (0.40) | KCNA3ALDH1A1CYP2D6CHRM3OPRK1 | |
| SCHEMBL28026010 | 0.87 | ALDH1A1 (0.38) | ALDH1A1ATMLMNACNR1CNR2 | |
| SCHEMBL28049321 | 0.87 | ALDH1A1 (0.40) | ALDH1A1ATMLMNACNR1CNR2 | |
| SCHEMBL28073265 | 0.86 | ALDH1A1 (0.37) | ALDH1A1ATMLMNACNR1CNR2 | |
| SCHEMBL28832222 | 0.85 | TDP1 (0.51) | NPC1RAB9AALDH1A1ATMLMNA | |
| SCHEMBL28049253 | 0.84 | LMNA (0.47) | ALDH1A1ATMLMNACYP2D6CYP1A2 | |
| SCHEMBL28086157 | 0.84 | LMNA (0.51) | ALDH1A1ATMLMNACYP2D6CYP1A2 | |
| SCHEMBL28030487 | 0.83 | CHRM2 (0.41) | ATMCHRM3 | |
| SCHEMBL27999947 | 0.83 | GAA (0.53) | ALDH1A1LMNACYP2D6CHRM3CYP1A2 | |
| Hydrochloric Acid SCHEMBL28314858 | 0.83 | LMNA (0.54) | RAB9AALDH1A1ATMLMNACYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109879859-A | COT regulator and its application method | 吉利德科学公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-107922390-B | COT modulators and methods of use thereof | 吉利德科学公司 | 2019-05-10 | — | — | CN | disclosed |